3-(2,2-difluoroethyl)-1-methylazetidine

C6H11F2N — CID 170595317

IUPAC3-(2,2-difluoroethyl)-1-methylazetidine
SMILESCN1CC(CC(F)F)C1
InChIInChI=1S/C6H11F2N/c1-9-3-5(4-9)2-6(7)8/h5-6H,2-4H2,1H3
InChIKeyUHPTVDSJBQYTHN-UHFFFAOYSA-N
MW135.16 g/mol
LogP1.20
Rot. Bonds2

About 3-(2,2-difluoroethyl)-1-methylazetidine

3-(2,2-difluoroethyl)-1-methylazetidine (PubChem CID 170595317) has the molecular formula C6H11F2N and a molecular weight of 135.16 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-1-methylazetidine.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-1-methylazetidine
PubChem CID170595317
Molecular FormulaC6H11F2N
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name3-(2,2-difluoroethyl)-1-methylazetidine
SMILESCN1CC(CC(F)F)C1
InChIInChI=1S/C6H11F2N/c1-9-3-5(4-9)2-6(7)8/h5-6H,2-4H2,1H3
InChIKeyUHPTVDSJBQYTHN-UHFFFAOYSA-N
XLogP1.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-ethylpentyl)-1-methylazetidine
CID 142104566
3-(2,2-difluoroethyl)-1-methylpiperidine-4-carboxylic acid
CID 115025039
3-(2-butyloctyl)-1-methylazetidine
CID 146488333
3-(1-fluoroethyl)-1-methylazetidine
CID 158009968
N-[(1-methylazetidin-3-yl)methoxy]propan-2-amine
CID 118333573
4-[(1R)-1-fluoropropyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine
CID 166537025
(3S,5R)-1-methyl-3-(2-methylpropyl)-5-propan-2-ylpiperidine
CID 134236222
(3R,5S)-1-methyl-3-(2-methylpropyl)-5-propan-2-ylpiperidine
CID 134236161
CID 89054773
CID 89054773
4-(2,2-difluoroethyl)cyclohexan-1-amine
CID 84716905
1-methyl-3,4-bis(2-methylpropyl)pyrrolidine
CID 146418320
1,4-bis[(1-methylazetidin-3-yl)methyl]piperazine
CID 169319674

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)-1-methylazetidine?
The IUPAC name of 3-(2,2-difluoroethyl)-1-methylazetidine (CID 170595317) is 3-(2,2-difluoroethyl)-1-methylazetidine.
What is the SMILES notation for 3-(2,2-difluoroethyl)-1-methylazetidine?
The canonical SMILES for 3-(2,2-difluoroethyl)-1-methylazetidine is CN1CC(CC(F)F)C1.
What is the InChIKey of 3-(2,2-difluoroethyl)-1-methylazetidine?
The InChIKey is UHPTVDSJBQYTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N/c1-9-3-5(4-9)2-6(7)8/h5-6H,2-4H2,1H3.
What are the key properties of 3-(2,2-difluoroethyl)-1-methylazetidine?
3-(2,2-difluoroethyl)-1-methylazetidine has a molecular weight of 135.16 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)-1-methylazetidine is sourced from PubChem (CID 170595317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).